Park K L, Moon B G, Jung S H, Kim J G, Suh I H
College of Pharmacy, Chungnam National University, Taejeon 305-764, Korea.
Acta Crystallogr C. 2000 Oct;56 ( Pt 10):1247-50. doi: 10.1107/s0108270100009495.
The title compound, (S)-(+)-4-[5-(2-oxo-4, 5-dihydroimidazol-1-ylsulfonyl)indolin-1 -ylcarbonyl ]anilinium chloride (S)-(+)-1-[1-(4-aminobenzoyl)indoline-5- sulfonyl]-4-phenyl-4, 5-dihydroimidazol-2-one, C(24)H(23)N(4)O(4)S(+).Cl(-). C(24)H(22)N(4)O(4)S, crystallizes in space group C2 from a CH(3)OH/CH(2)Cl(2) solution. In the crystal structure, there are two different conformers with their terminal C(6) aromatic rings mutually oriented at angles of 67.69 (14) and 61.16 (15) degrees. The distances of the terminal N atoms (of the two conformers) from the chloride ion are 3.110 (4) and 3.502 (4) A. There are eight distinct hydrogen bonds, i.e. four N-H...Cl, three N-H...O and one N-H...N, with one N-H group involved in a bifurcated hydrogen bond with two acceptors sharing the H atom. C-H...O contacts assist in the overall hydrogen-bonding process.
标题化合物，（S）-（+）-4-[5-（2-氧代-4,5-二氢咪唑-1-基磺酰基）吲哚啉-1-基羰基]苯胺氯化物（S）-（+）-1-[1-（4-氨基苯甲酰基）吲哚啉-5-磺酰基]-4-苯基-4,5-二氢咪唑-2-酮，C₂₄H₂₃N₄O₄S⁺·Cl⁻·C₂₄H₂₂N₄O₄S，从甲醇/二氯甲烷溶液中结晶于空间群C2中。在晶体结构中，有两种不同的构象异构体，其末端C₆芳环相互间的夹角为67.69（14）度和61.16（15）度。两种构象异构体的末端N原子与氯离子的距离分别为3.110（4）埃和3.502（4）埃。存在八个不同的氢键，即四个N-H...Cl、三个N-H...O和一个N-H...N，其中一个N-H基团参与了与两个受体共享H原子的分叉氢键。C-H...O接触有助于整体的氢键形成过程。
